SCHEMBL2643090

SCHEMBL2643090

[NH]c1ccc(C(F)(F)F)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.64
PIK3CA P42336 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
DAO P14920 2/20 0.35
KCNH2 Q12809 2/20 0.34
HDAC4 P56524 1/20 0.34
MAP4K4 O95819 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
DHFR P00374 1/20 0.34
SLC40A1 Q9NP59 2/20 0.34
KDM1A O60341 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL485933 0.78 TRPV4 (1.00) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL229945 0.73 TRPV4 (0.60) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL4149032 0.73 TRPV4 (0.60) TRPV4
SCHEMBL3168829 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL114542 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL8072956 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL227613 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL130933 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL1145929 0.71 TRPV4 (0.58) TRPV4PIK3CAPI4KBPIK3CDPIK3CB
SCHEMBL29937655 0.71 TRPV4 (0.58) TRPV4KCNH2CASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TRPV4 2071/4885PIK3CA 1396/4885PI4KB 1372/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TRPV4 2132/4885PIK3CA 1426/4885PI4KB 1405/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TRPV4 2071/4885PIK3CA 1396/4885PI4KB 1372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.